Found 9 results

Search term: MF = 'C_{22}H_{31}F_{3}O'
ChemSpider 2D Image | (1s,1'r,4S,4'r)-4-Propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexyl) | C22H31F3O

(1s,1'r,4S,4'r)-4-Propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexyl)

  • Molecular FormulaC22H31F3O
  • Average mass368.476 Da
  • Monoisotopic mass368.232697 Da
  • ChemSpider ID18750535

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1s,1'r,4S,4'r)-4-Propyl-4'-[4-(trifluormethoxy)phenyl]-1,1'-bi(cyclohexyl) [German] [ACD/IUPAC Name]
(1s,1'r,4S,4'r)-4-Propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexyl) [ACD/IUPAC Name]
(1s,1'r,4S,4'r)-4-Propyl-4'-[4-(trifluorométhoxy)phényl]-1,1'-bi(cyclohexyl) [French] [ACD/IUPAC Name]
Benzene, 1-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-4-(trifluoromethoxy)- [ACD/Index Name]
(1S,4R)-4-Propyl-4-(4-(trifluoromethoxy)phenyl)-1,1-bi(cyclohexane)
133937-72-1 [RN]
MFCD20488041 [MDL number]
propyl-4-(4-trifluoromethoxy-phenyl)-bicyclohexyl

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 400.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.6±3.0 kJ/mol
    Flash Point: 204.9±24.6 °C
    Index of Refraction: 1.485
    Molar Refractivity: 98.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 9.80
    ACD/LogD (pH 5.5): 7.76
    ACD/BCF (pH 5.5): 462594.75
    ACD/KOC (pH 5.5): 395114.16
    ACD/LogD (pH 7.4): 7.76
    ACD/BCF (pH 7.4): 462594.75
    ACD/KOC (pH 7.4): 395114.16
    Polar Surface Area: 9 Å2
    Polarizability: 39.2±0.5 10-24cm3
    Surface Tension: 32.5±3.0 dyne/cm
    Molar Volume: 345.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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